CID 1022441

3-amino-n-(2,3-dimethylphenyl)-6-(2-thienyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

Structural Information

Molecular Formula
C21H16F3N3OS2
SMILES
CC1=C(C(=CC=C1)NC(=O)C2=C(C3=C(S2)N=C(C=C3C(F)(F)F)C4=CC=CS4)N)C
InChI
InChI=1S/C21H16F3N3OS2/c1-10-5-3-6-13(11(10)2)26-19(28)18-17(25)16-12(21(22,23)24)9-14(27-20(16)30-18)15-7-4-8-29-15/h3-9H,25H2,1-2H3,(H,26,28)
InChIKey
NPMACHOPAAPCAT-UHFFFAOYSA-N
Compound name
3-amino-N-(2,3-dimethylphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.0687 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.07598 197.8
[M+Na]+ 470.05792 206.7
[M+NH4]+ 465.10252 203.3
[M+K]+ 486.03186 200.6
[M-H]- 446.06142 199.3
[M+Na-2H]- 468.04337 202.5
[M]+ 447.06815 200.1
[M]- 447.06925 200.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.